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CHEBI:68701 - (E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde

ChEBI IDCHEBI:68701
ChEBI Name(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
Stars
ASCII Name(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
DefinitionA member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from Chaetomium globosum, it exhibits radical scavenging activity.
Secondary ChEBI IDCHEBI:68192
Last Modified12 April 2021
DownloadsMolfile
FormulaC19H22O3
Net Charge0
Average Mass298.382
Monoisotopic Mass298.15689
SMILES[H]C(=O)c1c(O)c(CC=C(C)C)cc2oc(/C=C/CCC)cc12
InChIInChI=1S/C19H22O3/c1-4-5-6-7-15-11-16-17(12-20)19(21)14(9-8-13(2)3)10-18(16)22-15/h6-8,10-12,21H,4-5,9H2,1-3H3/b7-6+
InChIKeySBYYFNVKZGJIPR-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Eurotium repens (ncbitaxon:41409) - PubMed (21667972) EtOAc extract of Lyophilized fungus which was homogenized with acetone
Chaetomium globosum (ncbitaxon:38033) - PubMed (17125234)
Aspergillus cristatus (ncbitaxon:573508) - DOI (10.1021/acsomega.9b00593) Strain: CB10006
Roles Classification
Chemical Role:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde (CHEBI:68701) has role Aspergillus metabolite (CHEBI:76956)
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde (CHEBI:68701) has role Chaetomium metabolite (CHEBI:76960)
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde (CHEBI:68701) has role radical scavenger (CHEBI:48578)
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde (CHEBI:68701) is a 1-benzofurans (CHEBI:38830)
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde (CHEBI:68701) is a aldehyde (CHEBI:17478)
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde (CHEBI:68701) is a phenols (CHEBI:33853)
IUPAC Name 
5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde
Synonyms  Source
5-hydroxy-6-(3-methylbut-2-enyl)-2-[(E)-pent-1-enyl]-1-benzofuran-4-carbaldehydeChEBI
2-(2',3-epoxy-1',3'-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehydeChEBI
Manual XrefsDatabases
23326592ChemSpider
C00029427KNApSAcK
Registry NumbersSources
Reaxys:15811804Reaxys
CAS:916602-30-7PubChem Compound
Citations